7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine

C22H27N5O — CID 5330310

IUPAC7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C(C)C
InChIInChI=1S/C22H27N5O/c1-15(2)20-19(28-3)9-4-16-14-24-22(26-21(16)20)25-17-5-7-18(8-6-17)27-12-10-23-11-13-27/h4-9,14-15,23H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyMVYCYUJGCLLOSV-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.91
Rot. Bonds5

About 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine

7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine (PubChem CID 5330310) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine
PubChem CID5330310
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C(C)C
InChIInChI=1S/C22H27N5O/c1-15(2)20-19(28-3)9-4-16-14-24-22(26-21(16)20)25-17-5-7-18(8-6-17)27-12-10-23-11-13-27/h4-9,14-15,23H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyMVYCYUJGCLLOSV-UHFFFAOYSA-N
XLogP3.91
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-Methoxyquinazoline
CID 12213273
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
2-Aminoquinazoline 20
CID 5330318
2-Aminoquinazoline 27
CID 135399743
2-Aminoquinazoline 26
CID 135402987
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190
2-Aminoquinazoline 6
CID 5330305
2-Aminoquinazoline 7
CID 5330306
2-Aminoquinazoline 8
CID 5330307

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
The IUPAC name of 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine (CID 5330310) is 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine.
What is the SMILES notation for 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
The canonical SMILES for 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine is COc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C(C)C.
What is the InChIKey of 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
The InChIKey is MVYCYUJGCLLOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(2)20-19(28-3)9-4-16-14-24-22(26-21(16)20)25-17-5-7-18(8-6-17)27-12-10-23-11-13-27/h4-9,14-15,23H,10-13H2,1-3H3,(H,24,25,26).
What are the key properties of 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine has a molecular weight of 377.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(4-piperazin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine is sourced from PubChem (CID 5330310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).